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89113-94-0 | Butanoic acid, 2-(phenylseleno)-, ethyl ester
CAS No: 89113-94-0 Catalog No: AG003YF5 MDL No:
Product Description
Catalog Number:
AG003YF5
Chemical Name:
Butanoic acid, 2-(phenylseleno)-, ethyl ester
CAS Number:
89113-94-0
Molecular Formula:
C12H16O2Se
Molecular Weight:
271.2142
IUPAC Name:
ethyl 2-phenylselanylbutanoate
InChI:
InChI=1S/C12H16O2Se/c1-3-11(12(13)14-4-2)15-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChI Key:
WHWYFESJATUPQE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCC)[Se]c1ccccc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.229g/mol
Monoisotopic Mass:
272.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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